spectra_1A1B_mixer

This function creates 1:1 mixed AB spectra for spectral entropy calculation

The 'IDSL.FSA' package was designed to annotate standard .msp (mass spectra format) and .mgf (Mascot generic format) files using mass spectral entropy similarity, dot product (cosine) similarity, and normalized Euclidean mass error (NEME) followed by intelligent pre-filtering steps for rapid spectra searches. 'IDSL.FSA' also provides a number of modules to convert and manipulate .msp and .mgf files. The 'IDSL.FSA' workflow was integrated in the 'IDSL.CSA' and 'IDSL.NPA' packages introduced in <doi:10.1021/acs.analchem.3c00376>.

Dinesh Barupal

IDSL.FSA

Fragmentation Spectra Analysis (FSA)

Sadjad Fakouri-Baygi

spectra_1A1B_mixer function

<dl> <dt>PEAK_A</dt>
<dd>A matrix (m/z, int) of fragmentation spectra</dd> <dt>PEAK_B</dt>
<dd>A matrix (m/z, int) of fragmentation spectra</dd> <dt>massError</dt>
<dd>Mass accuracy in Da</dd> <dt>allowedNominalMass</dt>
<dd>c(TRUE, FALSE). Select `TRUE` only for nominal mass analysis.</dd></dl>

Arguments

Mixer 1:1 spectra A and B — spectra_1A1B_mixer

<dl>

 <dt>PEAK_A</dt>
<dd>A matrix (m/z, int) of fragmentation spectra</dd>

 <dt>PEAK_B</dt>
<dd>A matrix (m/z, int) of fragmentation spectra</dd>

 <dt>massError</dt>
<dd>Mass accuracy in Da</dd>

 <dt>allowedNominalMass</dt>
<dd>c(TRUE, FALSE). Select `TRUE` only for nominal mass analysis.</dd>

</dl>

spectra_1A1B_mixer: Mixer 1:1 spectra A and B

Description

Usage

Value

Arguments